Molecules, Vol. 29, Pages 1692: Investigation of Structures, Stabilities, and Electronic and Magnetic Properties of Niobium Carbon Clusters Nb7Cn (n = 1 & ndash;7)
Molecules, Vol. 29, Pages 1692: Investigation of Structures, Stabilities, and Electronic and Magnetic Properties of Niobium Carbon Clusters Nb7Cn (n = 1–7)
Molecules doi: 10.3390/molecules29081692
Authors:
Hui-Fang Li
Huai-Qian Wang
Jia-Ming Zhang
Lan-Xin Qin
Hao Zheng
Yong-Hang Zhang
The geometrical structures, relative stabilities, and electronic and magnetic properties of niobium carbon clusters, Nb7Cn (n = 1–7), are investigated in this study. Density functional theory (DFT) calculations, coupled with the Saunders Kick global search, are conducted to explore the structural prop...
Source: Molecules - April 9, 2024 Category: Chemistry Authors: Hui-Fang Li Huai-Qian Wang Jia-Ming Zhang Lan-Xin Qin Hao Zheng Yong-Hang Zhang Tags: Article Source Type: research
Molecules, Vol. 29, Pages 1693: Effects of Active Ingredients in Alcoholic Beverages and Their De-Alcoholized Counterparts on High-Fat Diet Bees: A Comparative Study
han
Yilin You
The mechanisms by which alcohol, alcoholic beverages, and their de-alcoholized derivatives affect animal physiology, metabolism, and gut microbiota have not yet been clarified. The polyphenol, monosaccharide, amino acid, and organic acid contents of four common alcoholic beverages (Chinese Baijiu, beer, Chinese Huangjiu, and wine) and their de-alcoholized counterparts were analyzed. The research further explored how these alcoholic beverages and their non-alcoholic versions affect obesity and gut microbiota, using a high-fat diet bee model created with 2% palm oil (PO). The results showed that wine, pos...
Source: Molecules - April 9, 2024 Category: Chemistry Authors: Guanghe Fan Xiaofei Wang Cuicui Gao Xiping Kang Huimin Xue Weidong Huang Jicheng Zhan Yilin You Tags: Article Source Type: research
Molecules, Vol. 29, Pages 1694: Electrocatalytic Reduction of CO2 to CO by Molecular Cobalt & ndash;Polypyridine Diamine Complexes
Molecules, Vol. 29, Pages 1694: Electrocatalytic Reduction of CO2 to CO by Molecular Cobalt–Polypyridine Diamine Complexes
Molecules doi: 10.3390/molecules29081694
Authors:
Yong Yang
Fang Xie
Jiahui Chen
Si Qiu
Na Qiang
Ming Lu
Zhongli Peng
Jing Yang
Guocong Liu
Cobalt complexes have previously been reported to exhibit high faradaic efficiency in reducing CO2 to CO. Herein, we synthesized capsule-like cobalt–polypyridine diamine complexes [Co(L1)](BF4)2 (1) and [Co(L2) (CH3CN)](BF4)2 (2) as catalysts for the electrocatalytic reduction of CO2. Under catalytic conditions, compl...
Source: Molecules - April 9, 2024 Category: Chemistry Authors: Yong Yang Fang Xie Jiahui Chen Si Qiu Na Qiang Ming Lu Zhongli Peng Jing Yang Guocong Liu Tags: Article Source Type: research
Molecules, Vol. 29, Pages 1696: The Composition of Volatiles and the Role of Non-Traditional LOX on Target Metabolites in Virgin Olive Oil from Autochthonous Dalmatian Cultivars
This article contributes to the selection of the optimal harvest time for the production of VOOs with the desired aromatic properties and to the knowledge of the varietal characteristics of VOOs. (Source: Molecules)
Source: Molecules - April 9, 2024 Category: Chemistry Authors: Barbara Soldo Maja Juki ć Špika Igor Paskovi ć Elma Vuko Marija Poli ć Pasković Ivica Ljubenkov Tags: Article Source Type: research
Molecules, Vol. 29, Pages 1697: On the Diffusion of Ionic Liquids in ILs@ZIF-8 Composite Materials: A Density Functional Theory Study
Lei Liu
Recently, composite materials consisting of ionic liquids (ILs) and metal–organic frameworks (MOFs) have attracted a great deal of attention due to their fantastic properties. Many theoretical studies have been performed on their special structures and gas separation applications. Yet, the mechanism for the diffusion of ILs inside MOF channels still remains unclear. Here, the DFT calculations (e.g., rigid and relaxed potential energy surface, PES, scan) together with frontier orbital analysis, natural charge analysis, and energy decomposition analysis were performed to investigate the diffusion be...
Source: Molecules - April 9, 2024 Category: Chemistry Authors: Longlong Liu Kun Jiang Qingjun Chen Lei Liu Tags: Article Source Type: research
Molecules, Vol. 29, Pages 1695: Core & ndash;Shell CoS2@MoS2 with Hollow Heterostructure as an Efficient Electrocatalyst for Boosting Oxygen Evolution Reaction
In this study, a well-designed electrocatalyst featuring a core–shell structure was synthesized with cobalt sulfides as the core and molybdenum disulfide nanosheets as the shell. The core–shell structure can prevent the agglomeration of MoS2, expose more active sites, and facilitate electrolyte ion diffusion. A CoS2/MoS2 heterostructure is formed between CoS2 and MoS2 through the chemical interaction, and the surface chemistry is adjusted. Due to the morphological merits and the formation of the CoS2/MoS2 heterostructure, CoS2@MoS2 exhibits excellent electrocatalytic performance during the oxyge...
Source: Molecules - April 9, 2024 Category: Chemistry Authors: Donglei Guo Jiaqi Xu Guilong Liu Xu Yu Tags: Article Source Type: research
Molecules, Vol. 29, Pages 1698: Supramolecular Solid Complexes between bis-pyridinium-4-oxime and Distinctive Cyanoiron Platforms
Foretić
The structural features and optical properties of supramolecular cyanoiron salts containing bis-pyridinium-4-oxime Toxogonin® (TOXO) as an electron acceptor are presented. The properties of the new TOXO-based cyanoiron materials were probed by employing two cyanoiron platforms: hexacyanoferrate(II), [Fe(CN)6]4– (HCF); and nitroprusside, [Fe(CN)5(NO)]2– (NP). Two water-insoluble inter-ionic donor–acceptor phases were characterized: the as-prepared microcrystalline reddish-brown (TOXO)2[Fe(CN)6]·8H2O (1a) with a medium-responsive, hydrochromic ...
Source: Molecules - April 9, 2024 Category: Chemistry Authors: Igor Picek Dubravka Matkovi ć-Čalogović Goran Dra žić Gregor Kapun Primo ž Šket Jasminka Popovi ć Bla ženka Foretić Tags: Article Source Type: research
Molecules, Vol. 29, Pages 1686: Herbal Polyphenols as Selenium Reducers in the Green Synthesis of Selenium Nanoparticles: Antibacterial and Antioxidant Capabilities of the Obtained SeNPs
In this study, herbal extracts were used in the green synthesis of SeNPs. The influence of herbal species, the ratio of the reagents, and post-reaction heating on the antibacterial and antioxidant properties of obtained SeNPs were investigated. The relationship between these properties and the physical parameters of obtained nanoparticles (e.g., size, shape) was also studied. It has been proven that SeNPs showed higher antioxidant and antibacterial properties in comparison to herbal extracts taken for their synthesis. Heating of the post-reaction mixture did not affect the SeNP size, shape, or other studied properties. (Source: Molecules)
Source: Molecules - April 9, 2024 Category: Chemistry Authors: Aleksandra Sentkowska Julia Konarska Jakub Szmytke Anna Grudniak Tags: Article Source Type: research
Molecules, Vol. 29, Pages 1687: Enhancement of Astaxanthin Bioaccessibility by Encapsulation in Liposomes: An In Vitro Study
n Zhao
Fei Xu
Astaxanthin was encapsulated in liposomes by a thin layer dispersion and ultrasound method using soybean phospholipid. The digestion properties of liposomes for encapsulating astaxanthin were investigated in light of particle size, size distribution, zeta potential, and microstructure during in vitro digestion as a function of time. These results exhibited that the average particle size increased gradually with liposomal vesicles retained round shapes and a fairly uniform distribution after passage through the simulated gastric fluid digestion. The result revealed that astaxanthin-loaded liposomes were ...
Source: Molecules - April 9, 2024 Category: Chemistry Authors: Li Pan Haojie Meng Jiaqi Li Zongjie Liu Dongsheng Zhang Zhengyang Liu Qian Zhao Fei Xu Tags: Article Source Type: research
Molecules, Vol. 29, Pages 1675: Citrus limon Wastes from Part of the Eastern Cape Province in South Africa: Medicinal, Sustainable Agricultural, and Bio-Resource Potential
This study obtained the chemical profiles of the essential oils (EOs) of C. limon wastes (the peel and leaves), evaluated their medicinal value as antioxidants, their potential for sustainable use in agriculture as an insecticide for post-harvest preservation of grains, and their potential as a bioresource in livestock feed formulations. The EOs were isolated from C. limon leaves and peel using a hydro-distillation method on a Clevenger apparatus. The oil constituents were identified using the gas chromatography-mass spectrometry (GC-MS) hyphenated technique. The oils were evaluated for their in vitro antioxidant activity ...
Source: Molecules - April 8, 2024 Category: Chemistry Authors: Phumelele Nodola Gugulethu M. Miya Vuyokazi Mazwi Ayodeji O. Oriola Opeoluwa O. Oyedeji Yiseyon S. Hosu Simon K. Kuria Adebola O. Oyedeji Tags: Article Source Type: research
Molecules, Vol. 29, Pages 1676: Development of Paper-Based Fluorescent Molecularly Imprinted Polymer Sensor for Rapid Detection of Lumpy Skin Disease Virus
El-Husseini
Lumpy Skin Disease (LSD) is a notifiable viral disease caused by Lumpy Skin Disease virus (LSDV). It is usually associated with high economic losses, including a loss of productivity, infertility, and death. LSDV shares genetic and antigenic similarities with Sheep pox virus (SPV) and Goat pox (GPV) virus. Hence, the LSDV traditional diagnostic tools faced many limitations regarding sensitivity, specificity, and cross-reactivity. Herein, we fabricated a paper-based turn-on fluorescent Molecularly Imprinted Polymer (MIP) sensor for the rapid detection of LSDV. The LSDV-MIPs sensor showed strong fluorescent i...
Source: Molecules - April 8, 2024 Category: Chemistry Authors: Samr Kassem Mervat E. Hamdy Karim M. Selim Dalia M. A. Elmasry Momtaz A. Shahein Dalia M. El-Husseini Tags: Article Source Type: research
Molecules, Vol. 29, Pages 1677: Robust Thiazole-Linked Covalent Organic Frameworks for Water Sensing with High Selectivity and Sensitivity
In this report, we present a thiazole-linked COF (TZ-COF-6) sensor with a large surface area, ultrahigh stability, and excellent crystallinity. The sensor was synthesized through a simple three-component reaction involving amine, aldehyde, and sulfur. The thiazole and methoxy groups confer strong basicity to TZ-COF-6 at the nitrogen sites, making them easily protonated reversibly by water. Therefore, TZ-COF-6 displayed color change visible to the naked eye from yellow to red when protonated, along with a red shift in absorption in the ultraviolet-visible diffuse reflectance spectra (UV-vis DRS) when exposed to water. Impor...
Source: Molecules - April 8, 2024 Category: Chemistry Authors: Kewei Wang Zhaoxia Wu Na Ji Tingxia Wang Yongxin Gu Zhixiang Zhao Yong Guo Xiaoyan Wang Zhifang Jia Bien Tan Tags: Article Source Type: research
Molecules, Vol. 29, Pages 1679: Valorization of Purple Phototrophic Bacteria Biomass Resulting from Photo Fermentation Aimed at Biohydrogen Production
This study evaluated the feasibility of contextually producing hydrogen, microbial proteins, and polyhydroxybutyrate (PHB) using a mixed culture of purple phototrophic bacteria biomass under photo fermentative conditions. To this end, three consecutive batch tests were conducted to analyze the biomass growth curve and to explore the potential for optimizing the production process. Experimental findings indicated that inoculating reactors with microorganisms from the exponential growth phase reduced the duration of the process. Furthermore, the most effective approach for simultaneous hydrogen production and the valorizatio...
Source: Molecules - April 8, 2024 Category: Chemistry Authors: Grazia Policastro Alessandra Cesaro Massimiliano Fabbricino Tags: Article Source Type: research
Molecules, Vol. 29, Pages 1678: Effect of Metal Elements on Microstructure and Mechanical Properties of Ultrafine Cemented Carbide Prepared by SPS
iwei Zhao
To satisfy the needs of precision machining, ultrafine tungsten carbide (WC)-based cemented carbide with fine grain size and excellent mechanical properties was prepared. Ultrafine cemented carbide was prepared by spark plasma sintering (SPS) using WC, Co as raw materials and metal elements V, and Cr as additives, and the effects of metal elements on the microstructure and mechanical properties of cemented carbide were investigated. The results show that the specimen (91.6WC-1.2V-1.2Cr-6Co) prepared at 1350 °C, 6 min, 25 MPa has the best mechanical properties (HV 2322.9, KIC 8.7 MPa&middot...
Source: Molecules - April 8, 2024 Category: Chemistry Authors: Hao Jiang Siyuan Fu Zichang Zhang Shun Wang Zhiwei Zhao Tags: Article Source Type: research
Molecules, Vol. 29, Pages 1680: An Update in Computational Methods for Environmental Monitoring: Theoretical Evaluation of the Molecular and Electronic Structures of Natural Pigment & ndash;Metal Complexes
Molecules, Vol. 29, Pages 1680: An Update in Computational Methods for Environmental Monitoring: Theoretical Evaluation of the Molecular and Electronic Structures of Natural Pigment–Metal Complexes
Molecules doi: 10.3390/molecules29071680
Authors:
Gabriella Josephine Maranata
Sandra Megantara
Aliya Nur Hasanah
Metals are beneficial to life, but the presence of these elements in excessive amounts can harm both organisms and the environment; therefore, detecting the presence of metals is essential. Currently, metal detection methods employ powerful instrumental techniques that require a lot of time and ...
Source: Molecules - April 8, 2024 Category: Chemistry Authors: Gabriella Josephine Maranata Sandra Megantara Aliya Nur Hasanah Tags: Review Source Type: research
